methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate

C31H27N5O4 — CID 171681800

IUPACmethyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(C(=O)N3CCC(c4ccc(NC(=O)c5nc6ccccn6n5)cc4)CC3)ccc2c1
InChIInChI=1S/C31H27N5O4/c1-40-31(39)25-8-6-22-18-24(7-5-23(22)19-25)30(38)35-16-13-21(14-17-35)20-9-11-26(12-10-20)32-29(37)28-33-27-4-2-3-15-36(27)34-28/h2-12,15,18-19,21H,13-14,16-17H2,1H3,(H,32,37)
InChIKeyLJWVMTDAJOMESC-UHFFFAOYSA-N
MW533.59 g/mol
LogP4.94
Rot. Bonds5

About methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate

methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate (PubChem CID 171681800) has the molecular formula C31H27N5O4 and a molecular weight of 533.59 g/mol. Its IUPAC name is methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate
PubChem CID171681800
Molecular FormulaC31H27N5O4
Molecular Weight533.59 g/mol
Exact Mass533.21
IUPAC Namemethyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(C(=O)N3CCC(c4ccc(NC(=O)c5nc6ccccn6n5)cc4)CC3)ccc2c1
InChIInChI=1S/C31H27N5O4/c1-40-31(39)25-8-6-22-18-24(7-5-23(22)19-25)30(38)35-16-13-21(14-17-35)20-9-11-26(12-10-20)32-29(37)28-33-27-4-2-3-15-36(27)34-28/h2-12,15,18-19,21H,13-14,16-17H2,1H3,(H,32,37)
InChIKeyLJWVMTDAJOMESC-UHFFFAOYSA-N
XLogP4.94
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.59
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate with MolForge

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Related Compounds

N-[4-[1-(3,5-dimethoxy-4-methylbenzoyl)piperidin-4-yl]phenyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 171684341
ethyl 4-[[4-[1-(quinazoline-6-carbonyl)piperidin-4-yl]phenyl]carbamoyl]benzoate
CID 171684166
methyl 4-[[4-[1-(7-fluoro-2H-indazole-3-carbonyl)piperidin-4-yl]phenyl]carbamoyl]-3-methylbenzoate
CID 171684337
methyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate
CID 171683543
3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 171683075
2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide
CID 171685751
methyl 6-cyclopropylnaphthalene-2-carboxylate
CID 54752886
methyl 4-[4-[4-[(2-fluoro-5-methylbenzoyl)amino]phenyl]piperidine-1-carbonyl]-3-nitrobenzoate
CID 171683851
methyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109103267
ethyl 4-[4-[4-[(3-fluoro-2-nitrobenzoyl)amino]phenyl]piperidine-1-carbonyl]benzoate
CID 171678343
N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide
CID 171698643
N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]quinoline-6-carboxamide
CID 171678356

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate?
The IUPAC name of methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate (CID 171681800) is methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate?
The canonical SMILES for methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate is COC(=O)c1ccc2cc(C(=O)N3CCC(c4ccc(NC(=O)c5nc6ccccn6n5)cc4)CC3)ccc2c1.
What is the InChIKey of methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate?
The InChIKey is LJWVMTDAJOMESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5O4/c1-40-31(39)25-8-6-22-18-24(7-5-23(22)19-25)30(38)35-16-13-21(14-17-35)20-9-11-26(12-10-20)32-29(37)28-33-27-4-2-3-15-36(27)34-28/h2-12,15,18-19,21H,13-14,16-17H2,1H3,(H,32,37).
What are the key properties of methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate?
methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate has a molecular weight of 533.59 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate is sourced from PubChem (CID 171681800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).